Compound Detail
CHEMBL5880420
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COc1ccc(-c2ccc(CC(=O)N[C@@H](CCN[C@@H]3C[C@H]3c3ccc(F)cc3)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5880420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLFSECFTICCVOA-RWSKJCERSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
3.17
ALogP
6
HBA
2
HBD
108.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 1000.0 | nM | 6.0 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 1000.0 | nM | 6.0 | Biological Activity Assay: The KDM1A demethylase enzyme activity can obtained fr... | - |
Data from ChEMBL 36 via Core Engine